1-decyl-2H-pyridine

C15H27N — CID 70479842

IUPAC1-decyl-2H-pyridine
SMILESCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C15H27N/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14H,2-8,10,13,15H2,1H3
InChIKeyYZWUDAWRLLKYAL-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.51
Rot. Bonds9

About 1-decyl-2H-pyridine

1-decyl-2H-pyridine (PubChem CID 70479842) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-decyl-2H-pyridine.

Molecular Properties

Compound Name1-decyl-2H-pyridine
PubChem CID70479842
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-decyl-2H-pyridine
SMILESCCCCCCCCCCN1C=CC=CC1
InChIInChI=1S/C15H27N/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14H,2-8,10,13,15H2,1H3
InChIKeyYZWUDAWRLLKYAL-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexadecylpyridine
CID 14178862
n-Butylpyridine
CID 17938176
N-dodecyl-N-methylpyridinium bromide
CID 18323155
1-Octylpyridine
CID 19876511
1-Butyl-1-methylpyridinium chloride
CID 19979781
1-n-Dodecylpyridine
CID 23024641
N-octadecylpyridine
CID 23024642
N-Cetyl-pyridin-hydrobromid
CID 70541737
1-Butyl-pyridine hydrochloride
CID 141072734
1-Hexyl-3-methyl pyridine
CID 141117286
1-Dodecyl-3-vinylpyridine
CID 129721744
N-heptyl-4-vinylpyridine
CID 129823821

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2H-pyridine?
The IUPAC name of 1-decyl-2H-pyridine (CID 70479842) is 1-decyl-2H-pyridine.
What is the SMILES notation for 1-decyl-2H-pyridine?
The canonical SMILES for 1-decyl-2H-pyridine is CCCCCCCCCCN1C=CC=CC1.
What is the InChIKey of 1-decyl-2H-pyridine?
The InChIKey is YZWUDAWRLLKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14H,2-8,10,13,15H2,1H3.
What are the key properties of 1-decyl-2H-pyridine?
1-decyl-2H-pyridine has a molecular weight of 221.39 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2H-pyridine is sourced from PubChem (CID 70479842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).